(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine

C9H9N3O — CID 93243058

IUPAC(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine
SMILESN[C@H](c1ccccc1)c1ncon1
InChIInChI=1S/C9H9N3O/c10-8(9-11-6-13-12-9)7-4-2-1-3-5-7/h1-6,8H,10H2/t8-/m1/s1
InChIKeyIYURJZDHJDSQMW-MRVPVSSYSA-N
MW175.19 g/mol
LogP1.12
Rot. Bonds2

About (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine

(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine (PubChem CID 93243058) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine.

Molecular Properties

Compound Name(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine
PubChem CID93243058
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine
SMILESN[C@H](c1ccccc1)c1ncon1
InChIInChI=1S/C9H9N3O/c10-8(9-11-6-13-12-9)7-4-2-1-3-5-7/h1-6,8H,10H2/t8-/m1/s1
InChIKeyIYURJZDHJDSQMW-MRVPVSSYSA-N
XLogP1.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine?
The IUPAC name of (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine (CID 93243058) is (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine.
What is the SMILES notation for (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine?
The canonical SMILES for (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine is N[C@H](c1ccccc1)c1ncon1.
What is the InChIKey of (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine?
The InChIKey is IYURJZDHJDSQMW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-8(9-11-6-13-12-9)7-4-2-1-3-5-7/h1-6,8H,10H2/t8-/m1/s1.
What are the key properties of (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine?
(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine has a molecular weight of 175.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine is sourced from PubChem (CID 93243058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).